Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5407)
Drug Name
Valacyclovir Hydrochloride
Synonyms .
Indication Herpes simplex virus infection [ICD11: 1F00] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 360.8 Topological Polar Surface Area 147
Heavy Atom Count 24 Rotatable Bond Count 8
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
135398741
ChEBI ID
CHEBI:9919
CAS Number
124832-27-5
TTD Drug ID
D05MFA
Formula
C13H21ClN6O4
Canonical SMILES
CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N.Cl
InChI
InChI=1S/C13H20N6O4.ClH/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20;/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20);1H/t8-;/m0./s1
InChIKey
ZCDDBUOENGJMLV-QRPNPIFTSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Acyclovir DM016608
135398513
Unclear 1 [6] , [5]
L-valine DM014899
6287
Unclear 1 [6] , [5]
Acyclovir monophosphate DM016622
135422933
Conjugation - Phosphorylation 2 [3]
Acyclovir diphosphate DM016627
135434163
Conjugation - Phosphorylation 3 [3]
Acyclovir triphosphate DM016613
135405018
Conjugation - Phosphorylation 4 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013483 Valaciclovir Acyclovir Unclear BPHL [6], [5]
MR013484 Valaciclovir L-valine Unclear BPHL [6], [5]
MR013480 Valaciclovir Acyclovir monophosphate Conjugation - Phosphorylation TK2 [3]
MR013481 Acyclovir monophosphate Acyclovir diphosphate Conjugation - Phosphorylation GUK1 [3]
MR013482 Acyclovir diphosphate Acyclovir triphosphate Conjugation - Phosphorylation Ks [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldehyde dehydrogenase (ALDH) DMEN076 . Not Available Not Available [2]
Aldehyde oxidase (AOX1) DME0052 Homo sapiens
AOXA_HUMAN
1.2.3.1
[2]
Guanylate kinase (GUK1) DMEN721 Homo sapiens
KGUA_HUMAN
2.7.4.8
[3]
Putative hydrolase RBBP9 (Rbbp9) DMEN860 Mus musculus
RBBP9_MOUSE
3.-.-.-
[4]
Thymidine kinase (TK1) DMEN825 Homo sapiens
KITH_HUMAN
2.7.1.21
[3]
Valacyclovir hydrolase (BPHL) DMEN738 Homo sapiens
BPHL_HUMAN
3.1.-.-
[5]
⏷ Show the Full List of 6  DME(s)
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Absolute bioavailability and metabolic disposition of valaciclovir, the L-valyl ester of acyclovir, following oral administration to humans
3 DrugBank(Pharmacology-Metabolism):Valacyclovir Hydrochloride
4 Chemoproteomic Identification of Serine Hydrolase RBBP9 as a Valacyclovir-Activating Enzyme
5 Human valacyclovir hydrolase/biphenyl hydrolase-like protein is a highly efficient homocysteine thiolactonase
6 Valacyclovir: a review of its antiviral activity, pharmacokinetic properties, and clinical efficacy

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.